Concepts and Methods in Modern Theoretical Chemistry, Two Volume Set, Ghosh, Swapan Kumar
Автор: Ghosh, Swapan Kumar Название: Concepts and Methods in Modern Theoretical Chemistry ISBN: 1466506202 ISBN-13(EAN): 9781466506206 Издательство: Taylor&Francis Рейтинг: Цена: 183750.00 T Наличие на складе: Есть у поставщика Поставка под заказ.
Vol. 1 of Chemoinformatics of Natural Products presents an overview of natural products chemistry, discussing the chemical space of naturally occurring compounds, followed by an overview of computational methods.
This edited, multi-author volume contains selected, peer–reviewed contributions based on the presentations given at the 21th International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP-XXI), held in Vancouver, Canada, in July 2016.
This book is primarily aimed at scholars, researchers and graduate students working at universities and scientific laboratories and interested in the structure, properties, dynamics and spectroscopy of atoms, molecules, biological systems and condensed matter.
Название: Concepts and Methods in Modern Theoretical Chemistry ISBN: 0367380315 ISBN-13(EAN): 9780367380311 Издательство: Taylor&Francis Рейтинг: Цена: 65320.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание:
Concepts and Methods in Modern Theoretical Chemistry: Statistical Mechanics, the second book in a two-volume set, focuses on the dynamics of systems and phenomena. A new addition to the series Atoms, Molecules, and Clusters, this book offers chapters written by experts in their fields. It enables readers to learn how concepts from ab initio quantum chemistry and density functional theory (DFT) can be used to describe, understand, and predict chemical dynamics.
This book covers a wide range of subjects, including discussions on the following topics:
Time-dependent DFT
Quantum fluid dynamics (QFD)
Photodynamic control, nonlinear dynamics, and quantum hydrodynamics
Molecules in a laser field, charge carrier mobility, and excitation energy transfer
Mechanisms of chemical reactions
Nucleation, quantum Brownian motion, and the third law of thermodynamics
Transport properties of binary mixtures
Although most of the chapters are written at a level that is accessible to a senior graduate student, experienced researchers will also find interesting new insights in these experts' perspectives. This book provides an invaluable resource toward understanding the whole gamut of atoms, molecules, and clusters.
Название: Concepts and Methods in Modern Theoretical Chemistry ISBN: 0367380323 ISBN-13(EAN): 9780367380328 Издательство: Taylor&Francis Рейтинг: Цена: 61240.00 T Наличие на складе: Невозможна поставка. Описание:
Concepts and Methods in Modern Theoretical Chemistry: Electronic Structure and Reactivity, the first book in a two-volume set, focuses on the structure and reactivity of systems and phenomena. A new addition to the series Atoms, Molecules, and Clusters, this book offers chapters written by experts in their fields. It enables readers to learn how concepts from ab initio quantum chemistry and density functional theory (DFT) can be used to describe, understand, and predict electronic structure and chemical reactivity.
This book covers a wide range of subjects, including discussions on the following topics:
DFT, particularly the functional and conceptual aspects
Excited states, molecular electrostatic potentials, and intermolecular interactions
General theoretical aspects and application to molecules
Clusters and solids, electronic stress, and electron affinity difference
The information theory and the virial theorem
New periodic tables
The role of the ionization potential
Although most of the chapters are written at a level that is accessible to a senior graduate student, experienced researchers will also find interesting new insights in these experts' perspectives. This comprehensive book provides an invaluable resource toward understanding the whole gamut of atoms, molecules, and clusters.
Автор: Ghosh, Swapan Kumar Название: Concepts and Methods in Modern Theoretical Chemistry ISBN: 1466505281 ISBN-13(EAN): 9781466505285 Издательство: Taylor&Francis Рейтинг: Цена: 173530.00 T Наличие на складе: Нет в наличии.
Автор: Jerzy Leszczynski; Manoj Shukla Название: Practical Aspects of Computational Chemistry ISBN: 904812686X ISBN-13(EAN): 9789048126866 Издательство: Springer Рейтинг: Цена: 174150.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание: Presents contributions on a range of aspects of Computational Chemistry applied to a variety of research fields. This title includes chapters that focus on the theoretical developments which have been used to investigate structures and properties of large systems with minimal computational resources.
Автор: Fedor Valach; Jan Ondracek; Milan Melnik Название: Crystallographic Statistics in Chemical Physics ISBN: 366201601X ISBN-13(EAN): 9783662016015 Издательство: Springer Рейтинг: Цена: 87070.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание: This book introduces the concept of crystallographic non-rigidity and asymmetry of the transition elements as centralatoms organometallic compounds.
Автор: Kunal Roy; Supratik Kar; Rudra Narayan Das Название: A Primer on QSAR/QSPR Modeling ISBN: 3319172808 ISBN-13(EAN): 9783319172804 Издательство: Springer Рейтинг: Цена: 51230.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание: This brief goes back to basics and describes the Quantitative structure-activity/property relationships (QSARs/QSPRs) that represent predictive models derived from the application of statistical tools correlating biological activity (including therapeutic and toxic) and properties of chemicals (drugs/toxicants/environmental pollutants) with descriptors representative of molecular structure and/or properties. It explains how the sub-discipline of Cheminformatics is used for many applications such as risk assessment, toxicity prediction, property prediction and regulatory decisions apart from drug discovery and lead optimization. The authors also present, in basic terms, how QSARs and related chemometric tools are extensively involved in medicinal chemistry, environmental chemistry and agricultural chemistry for ranking of potential compounds and prioritizing experiments. At present, there is no standard or introductory publication available that introduces this important topic to students of chemistry and pharmacy. With this in mind, the authors have carefully compiled this brief in order to provide a thorough and painless introduction to the fundamental concepts of QSAR/QSPR modelling. The brief is aimed at novice readers.
Автор: Juan Bertr?n; Imre G. Csizmadia Название: New Theoretical Concepts for Understanding Organic Reactions ISBN: 079230151X ISBN-13(EAN): 9780792301516 Издательство: Springer Рейтинг: Цена: 245040.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание: Proceedings of the NATO Advanced Study Institute, Sant Feliu de Guixois, Spain, June 19-July 2, 1988
Автор: Juan Bertr?n; Imre G. Csizmadia Название: New Theoretical Concepts for Understanding Organic Reactions ISBN: 9401075395 ISBN-13(EAN): 9789401075398 Издательство: Springer Рейтинг: Цена: 245040.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание: Proceedings of the NATO Advanced Study Institute, Sant Feliu de Guixois, Spain, June 19-July 2, 1988
Автор: Talmi, Igal Название: Simple models of complex nuclei ISBN: 1138410187 ISBN-13(EAN): 9781138410183 Издательство: Taylor&Francis Рейтинг: Цена: 183750.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание: Discusses the shell model and the interacting Boson model and their applications to the structure of atomic nuclei. The author systematically develops these models from an elementary level, through an introduction to tensor algebra, to the use of group theory in spectroscopy.
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